dimethyl({[(1R,5S,6S)-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl})amine

• ChemBase ID: 579234
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: [C@H]12[C@H]([C@@H]1CN(C)C)CN(C2)Cc1n(ccn1)CCC
• Canonical SMILES: CCCn1ccnc1CN1C[C@@H]2[C@H](C1)[C@H]2CN(C)C
• InChI: InChI=1S/C15H26N4/c1-4-6-19-7-5-16-15(19)11-18-9-13-12(8-17(2)3)14(13)10-18/h5,7,12-14H,4,6,8-11H2,1-3H3/t12-,13-,14+
• InChIKey: RCFIDPZDGOGOAN-ZSOGYDGISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[(1R,5S,6S)-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl})amine
• IUPAC Traditional name: dimethyl({[(1R,5S,6S)-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl})amine
• Synonyms: N,N-dimethyl-1-{(1R*,5S*,6r)-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hex-6-yl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.500648
• LogD (pH = 7.4): -1.9193035
• Log P: 0.8368347
• Molar Refractivity: 79.2599 cm^3
• Polarizability: 30.76052 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.08
• LOG S: -1.03
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 6